Convex Hull¶

Convex hull phase diagram from JARVIS-DFT formation energies. Supports 2-element (2D plot), 3-element (ternary), and 4+-element (3D) systems.

Open App

Overview¶

Convex hull phase diagram from JARVIS-DFT formation energies. Supports 2-element (2D plot), 3-element (ternary), and 4+-element (3D) systems.

Data Source

dft_3d (formation energies)

Endpoints¶

GET /convexhull
POST /convexhull/compute

Request Models: ConvexHullRequest

Authentication

All POST endpoints require Authorization: Bearer YOUR_TOKEN.

API Example¶

import requests

response = requests.post(
    "https://atomgpt.org/convexhull/compute",
    headers={
        "Authorization": "Bearer sk-XYZ",
        "accept": "application/json",
        "Content-Type": "application/json",
    },
    json={"jid": "JVASP-1002"},
)
data = response.json()
print(data)

AGAPI Agent¶

from agapi.agents import AGAPIAgent
import os

agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show convex hull for Silicon")
print(response)

Reference¶

NPJ Comp. Mat. 6, 173 (2020)